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Home > Nitro Compounds > 138042-18-9
138042-18-9 | 2-Pentenedinitrile, 2,4-dinitro-, compd. with pyridine (1:1)
CAS No: 138042-18-9 Catalog No: AG0017VR MDL No:
Product Description
Catalog Number:
AG0017VR
Chemical Name:
2-Pentenedinitrile, 2,4-dinitro-, compd. with pyridine (1:1)
CAS Number:
138042-18-9
Molecular Formula:
C10H7N5O4
Molecular Weight:
261.1937
IUPAC Name:
2,4-dinitropent-2-enedinitrile;pyridine
InChI:
InChI=1S/C5H2N4O4.C5H5N/c6-2-4(8(10)11)1-5(3-7)9(12)13;1-2-4-6-5-3-1/h1,4H;1-5H
InChI Key:
UVPQNRVBGCHXMM-UHFFFAOYSA-N
SMILES:
c1cccnc1.N#CC([N+](=O)[O-])C=C([N+](=O)[O-])C#N
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.05g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.197g/mol
Monoisotopic Mass:
261.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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